2-(2-azanylpropanoyl)-1-(1-ethoxy-3-hexylsulfanyl-1-oxidanylidene-propan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-(1-ethoxy-3-hexylsulfanyl-1-oxidanylidene-propan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[2-ethoxy-1-(hexylsulfanylmethyl)-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[1-ethoxy-3-(hexylthio)-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-(1-ethoxy-3-hexylsulfanyl-1-oxopropan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[2-ethoxy-1-[(hexylthio)methyl]-2-keto-ethyl]proline Formula: C19H34N2O5S MolecularWeight: 402.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(C(=O)OCC)N1CCCC1(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCCCCCSCC(C(=O)OCC)N1CCCC1(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C19H34N2O5S/c1-4-6-7-8-12-27-13-15(17(23)26-5-2)21-11-9-10-19(21,18(24)25)16(22)14(3)20/h14-15H,4-13,20H2,1-3H3,(H,24,25)